Information card for entry 2209430

Structure parameters

• Chemical name: [4-(Ferrocene-1-carboxamido)pyridine](tetraphenylporphyrinato)zinc(II) toluene 1.5-solvate
• Formula: C70.5 H54 Fe N6 O Zn
• Calculated formula: C70.5 H53.5 Fe N6 O Zn
• Title of publication: [4-(Ferrocene-1-carboxamido)pyridine](tetraphenylporphyrinato)zinc(II) toluene sesquisolvate
• Authors of publication: Boyd, Peter D. W.; Hosseini, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1542 - m1544
• a: 11.0337 ± 0.0001 Å
• b: 11.2671 ± 0.0001 Å
• c: 22.8406 ± 0.0001 Å
• α: 82.02 ± 0.001°
• β: 89.865 ± 0.001°
• γ: 73.03 ± 0.001°
• Cell volume: 2687.37 ± 0.04 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes